N-[(2,3-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolamine IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Traditional Name: o-veratryl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amine Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4

InChI

InChI=1S/C23H30N4O2/c1-28-21-12-8-9-18(22(21)29-2)17-24-23-25-19-10-4-5-11-20(19)27(23)16-15-26-13-6-3-7-14-26/h4-5,8-12H,3,6-7,13-17H2,1-2H3,(H,24,25)/p+1